SCHEMBL28576568

SCHEMBL28576568

Cc1cnnc(CS(=O)(=O)O[C@@H]2CCNC2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.31
▸ PRKCZ Q05513 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ HTR2C P28335 3/20 0.31
▸ HTR2B P41595 3/20 0.31
▸ CHRM1 P11229 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28576571 1.00 SSTR4 (0.31) SSTR4PRKCZCHRNB2CHRNA4HTR2C
SCHEMBL20281866 0.71 HRH3 (0.44) CHRNB2CHRNA4CHRM1
SCHEMBL28040980 0.69 KCNH2 (0.35) CHRNB2CHRNA4CHRM1
SCHEMBL31181776 0.68 KDM1A (0.32) SSTR4CHRNB2CHRNA4CHRM1
SCHEMBL28599474 0.68 KDM1A (0.32) SSTR4CHRNB2CHRNA4CHRM1
SCHEMBL17561042 0.68 KDM4E (0.33) —
SCHEMBL28426105 0.65 CHRM1 (0.30) CHRM1
SCHEMBL17303549 0.65 P2RX7 (0.40) —
SCHEMBL3587507 0.64 CYP2D6 (0.52) HTR2CHTR2B
SCHEMBL3587080 0.64 CYP2D6 (0.52) HTR2CHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996785-A Therapeutic compounds 希四克斯探索有限公司 2021-06-18 — — CN disclosed
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